| General Property |
| Molceule ID (DB) | EGIN0004340 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 3f compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)butanamide |
| Formula | C20H22BrN5O |
| Mass | 428.326 |
| Exact Mass | 427.100773 |
| Composition | C (56.08%), H (5.18%), Br (18.65%), N (16.35%), O (3.74%) |
| Atom Count | 49 |
| PI | 11.81 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)CCCN(C)C |
| InChI | 1S/C20H22BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,
5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,27)(H,22,23,25) |
| InChIKey | QKNUBNZRMFTLIJ-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 20222733 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Lck | YES1 | PHK | RIPK2 | PIM1 | MNK2 | EPH-B3 | PKD1 | SmMLCK | AuroraB | DYRK3 | BRSK2 | MKK1 | PIM3 | MINK1 | FGF-R1 | PRK2 | CHK2 | NUAK1 | Src | GCK | MELK | MetNK1 | VEGFR | DYRK2 | BRSK1 | EPH-A2 | CAMK1 | PIM2 | CSK | p38a | AMPK | DYRK1A | MLK3 | AuroraA | CAMKKb | CK1 | SYK | ERK1 | IRR | PKCa | RSK1 | MARK4 | PAK2 | S6K1 | TBK1 | JNK1 | JNK2 | NEK6 | ERK8 | MST2 | RSK2 | BTK | CHK1 | IR-HIS | p38d | PAK6 | JNK3 | PKBb | IRAK4 | MAPKAP-K3 | p38b | MARK2 | PAK4 | PAK5 | p38g | MARK3 | PKCz | TTK | MLK1 | SRPK1 | ERK2 | MST4 | PDK1 | IKKe | PRAK | IKKB | MAPKAP-K2 | EF2K | PKA | CDK2-CycA | MSK1 | SGK1 | PLK1 | ROCK2 | CK2 | GSK3b | HIPK2 | NEK2a | LKB1 | PKBa | IGF-1R | HIPK3 | HIPK1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24667990 |
| ChEMBL Link | CHEMBL1088901 |
